SCHEMBL10164927

SCHEMBL10164927

CCOC(=O)CCc1c(F)cc(F)cc1[C@@H](C)OCCCOC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
HPGD P15428 5/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 2/20 0.33
AKR1C3 P42330 1/20 0.33
TNF P01375 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CYP1A2 P05177 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13265176 0.81 KDM4E (0.33) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL10134598 0.81 KDM4E (0.33) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL9105956 0.77 CYP4F2 (0.47) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL25240413 0.72 CYP4F2 (0.43) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL8945119 0.72 CYP4F2 (0.48) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL6744920 0.72 KDM4E (0.32) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL29056374 0.68 CYP4F2 (0.47) KDM4EHPGDHSD17B10MAPTTNF
SCHEMBL8806998 0.68 CYP4F2 (0.43) KDM4EHPGDHSD17B10MAPTAKR1C3
SCHEMBL1745188 0.68 TAAR1 (0.53) KDM4EHPGDHSD17B10MAPTTNF
SCHEMBL12202096 0.68 CYP4F2 (0.39) KDM4EHPGDHSD17B10CYP4F2CYP4A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 KDM4E 3243/4885HPGD 1935/4885HSD17B10 4580/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.